1,1-dihydroperfluoroheptyl chloroformate | 1130253-62-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1,1-dihydroperfluoroheptyl chloroformate
• 英文别名: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl carbonochloridate
• CAS: 1130253-62-1
• 化学式: C₈H₂ClF₁₃O₂
• 分子量: 412.535
• InChiKey: JJAJUZHYPJSHNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,1-dihydroperfluoroheptyl chloroformate 在 sodium peroxide 作用下， 反应 2.0h， 以68%的产率得到di(1,1-dihydroperfluoroheptyl)peroxydicarbonate
  参考文献：
  名称：

  Synthesis and properties of di(polyfluoroalkyl) peroxydicarbonates

  摘要：

  Synthesis of di(polyfluoroalkyl)peroxydicarbonates [X(CF(2)) (n) CH(2)OC(O)O](2), where X = H, F; n = 1, 2, 4, 6 (yield 80%) involves the step of the chloroformate formation (yield up to 93%) via the phosgenation of polyfluorinated alcohols followed by the reaction with sodium peroxide. The rate constant of monomolecular decomposition k (term) was found to decrease as the polyfluoroalkyl groups were incorporated into the peroxide: it equaled 3.30 and 3.10 s(-1) for X = H, n = 2 and 4, respectively, and 7.36 s(-1) for di-n-butylperoxydicarbonate. The new peroxides are a source of the polyfluoroalkoxy radicals and nano-modifiers of the polymers to improve their heat resistance and light stability.

  DOI：

  10.1134/s1070363211050100
• 作为产物：
  描述：

  光气 、 全氟-1-庚醇 在 三乙胺 作用下， 反应 2.0h， 以88%的产率得到1,1-dihydroperfluoroheptyl chloroformate
  参考文献：
  名称：

  Synthesis and properties of di(polyfluoroalkyl) peroxydicarbonates

  摘要：

  Synthesis of di(polyfluoroalkyl)peroxydicarbonates [X(CF(2)) (n) CH(2)OC(O)O](2), where X = H, F; n = 1, 2, 4, 6 (yield 80%) involves the step of the chloroformate formation (yield up to 93%) via the phosgenation of polyfluorinated alcohols followed by the reaction with sodium peroxide. The rate constant of monomolecular decomposition k (term) was found to decrease as the polyfluoroalkyl groups were incorporated into the peroxide: it equaled 3.30 and 3.10 s(-1) for X = H, n = 2 and 4, respectively, and 7.36 s(-1) for di-n-butylperoxydicarbonate. The new peroxides are a source of the polyfluoroalkoxy radicals and nano-modifiers of the polymers to improve their heat resistance and light stability.

  DOI：

  10.1134/s1070363211050100

文献信息

• Catalytic synthesis of polyfluoroalkyl chloroformates
  作者：A. I. Rakhimov、L. A. Butkovskaya、A. V. Baklanov

  DOI：10.1134/s1070363208050289

  日期：2008.5